Ligand name: (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide
PDB ligand accession: 39W
DrugBank: n/a
PubChem: 44230166
ChEMBL: n/a
InChI Key: WCUAGYIETHEUQO-MULYSJGUSA-N
SMILES: CC(C)c1csc(n1)c2cc(c3ccc(c(c3n2)F)OC)OC4CC5C(=O)N(CCCCC=CC6CC6(NC(=O)N5C4)C(=O)NS(=O)(=O)C7(CC7)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolactams
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A6N4J4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4U01	Download	Experimental	e4u01.15 e4u01.18 e4u01.11 e4u01.17 e4u01.10 e4u01.13 e4u01.12 e4u01.16 e4u01.14	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot